1-ethoxy-6-methylidene-N-propyloctan-4-amine

C14H29NO — CID 105164104

IUPAC1-ethoxy-6-methylidene-N-propyloctan-4-amine
SMILESC=C(CC)CC(CCCOCC)NCCC
InChIInChI=1S/C14H29NO/c1-5-10-15-14(12-13(4)6-2)9-8-11-16-7-3/h14-15H,4-12H2,1-3H3
InChIKeyDCRQMWUNPOJVHS-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.53
Rot. Bonds11

About 1-ethoxy-6-methylidene-N-propyloctan-4-amine

1-ethoxy-6-methylidene-N-propyloctan-4-amine (PubChem CID 105164104) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-ethoxy-6-methylidene-N-propyloctan-4-amine.

Molecular Properties

Compound Name1-ethoxy-6-methylidene-N-propyloctan-4-amine
PubChem CID105164104
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-ethoxy-6-methylidene-N-propyloctan-4-amine
SMILESC=C(CC)CC(CCCOCC)NCCC
InChIInChI=1S/C14H29NO/c1-5-10-15-14(12-13(4)6-2)9-8-11-16-7-3/h14-15H,4-12H2,1-3H3
InChIKeyDCRQMWUNPOJVHS-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-N-ethyl-5-methylideneheptan-3-amine
CID 105164131
5-methylidene-1-methylsulfanyl-N-propylheptan-3-amine
CID 105163897
1-ethoxy-7-methyl-N-propyloctan-4-amine
CID 105127229
1-ethoxy-N-propyloct-7-en-4-amine
CID 105153556
1-cyclopentyl-5-ethoxy-N-propylpentan-2-amine
CID 105139073
1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine
CID 105005908
1-propoxy-N-propylheptan-4-amine
CID 79568616
5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 105121210
5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine
CID 105159138
2-methyl-N-propyltridec-1-en-4-amine
CID 105004090
1-ethoxy-N-ethylundecan-4-amine
CID 105124652
4-ethoxy-1-propoxy-N-propylbutan-2-amine
CID 112688262

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-6-methylidene-N-propyloctan-4-amine?
The IUPAC name of 1-ethoxy-6-methylidene-N-propyloctan-4-amine (CID 105164104) is 1-ethoxy-6-methylidene-N-propyloctan-4-amine.
What is the SMILES notation for 1-ethoxy-6-methylidene-N-propyloctan-4-amine?
The canonical SMILES for 1-ethoxy-6-methylidene-N-propyloctan-4-amine is C=C(CC)CC(CCCOCC)NCCC.
What is the InChIKey of 1-ethoxy-6-methylidene-N-propyloctan-4-amine?
The InChIKey is DCRQMWUNPOJVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-10-15-14(12-13(4)6-2)9-8-11-16-7-3/h14-15H,4-12H2,1-3H3.
What are the key properties of 1-ethoxy-6-methylidene-N-propyloctan-4-amine?
1-ethoxy-6-methylidene-N-propyloctan-4-amine has a molecular weight of 227.39 g/mol, XLogP of 3.53, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-6-methylidene-N-propyloctan-4-amine is sourced from PubChem (CID 105164104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).